2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine

C17H24N2O2 — CID 62558505

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C17H24N2O2/c1-5-7-18-11-13(2)19-8-6-14-9-16(20-3)17(21-4)10-15(14)12-19/h1,9-10,13,18H,6-8,11-12H2,2-4H3
InChIKeyUKEGGEISBVPHEJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.67
Rot. Bonds6

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine (PubChem CID 62558505) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine
PubChem CID62558505
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C17H24N2O2/c1-5-7-18-11-13(2)19-8-6-14-9-16(20-3)17(21-4)10-15(14)12-19/h1,9-10,13,18H,6-8,11-12H2,2-4H3
InChIKeyUKEGGEISBVPHEJ-UHFFFAOYSA-N
XLogP1.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-N'-methyl-N-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269165
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide
CID 62900078
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoic acid
CID 119134924
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 8513659
N-ethyl-6,7-dimethoxy-N'-prop-2-ynyl-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111269919
(2R)-N-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 8513842
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)-2-oxoacetamide
CID 108983974
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-2-amine
CID 43199554
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
methyl 5-[(2S)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8513886
1-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylethanamine
CID 63913641

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine (CID 62558505) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine?
The InChIKey is UKEGGEISBVPHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-7-18-11-13(2)19-8-6-14-9-16(20-3)17(21-4)10-15(14)12-19/h1,9-10,13,18H,6-8,11-12H2,2-4H3.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 62558505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).